Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.45 |
| ▸ | RXRA | P19793 | 1/20 | 0.44 |
| ▸ | RXRB | P28702 | 1/20 | 0.44 |
| ▸ | RXRG | P48443 | 1/20 | 0.44 |
| ▸ | RARB | P10826 | 2/20 | 0.43 |
| ▸ | RARA | P10276 | 1/20 | 0.43 |
| ▸ | RARG | P13631 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9513766 | 0.91 | RARB (0.43) | CYP17A1S1PR1RXRARXRBRXRG | |
| SCHEMBL11067272 | 0.91 | RARB (0.51) | CYP17A1S1PR1RXRARXRBRXRG | |
| SCHEMBL9512933 | 0.89 | RARB (0.57) | CYP17A1S1PR1RXRARXRBRXRG | |
| SCHEMBL9512344 | 0.89 | RARB (0.57) | CYP17A1S1PR1RXRARXRBRXRG | |
| SCHEMBL10977756 | 0.89 | S1PR1 (0.49) | CYP17A1S1PR1RARBRARARARG | |
| SCHEMBL13198678 | 0.89 | CYP17A1 (0.44) | CYP17A1S1PR1RXRARXRBRXRG | |
| SCHEMBL18310405 | 0.89 | CYP17A1 (0.44) | CYP17A1S1PR1RXRARXRBRXRG | |
| SCHEMBL10977419 | 0.88 | RARB (0.59) | CYP17A1S1PR1RARBRARARARG | |
| SCHEMBL10974844 | 0.88 | RARB (0.59) | CYP17A1S1PR1RARBRARARARG | |
| SCHEMBL10983282 | 0.88 | RARB (0.59) | CYP17A1S1PR1RARBRARARARG |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4490305-A | Liquid-crystalline halogen compounds, process for their preparation, dielectrics containing these, and electro-optical display element | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1984-12-25 | — | — | US | disclosed |
| EP-0074608-A2 | Liquid crystal halogen compounds, process for their preparation, dielectric and dectrooptical display element containing them | MERCK PATENT GmbH (DE) | 1983-03-23 | — | — | EP | disclosed |